N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide

C24H26F2N6O2 — CID 166296878

IUPACN-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide
SMILESCc1ccc(Nc2cccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3OC(F)F)c2)nn1
InChIInChI=1S/C24H26F2N6O2/c1-16-6-9-22(30-29-16)27-18-5-3-4-17(14-18)23(33)28-20-8-7-19(15-21(20)34-24(25)26)32-12-10-31(2)11-13-32/h3-9,14-15,24H,10-13H2,1-2H3,(H,27,30)(H,28,33)
InChIKeyLBSNXEWLYOPNCY-UHFFFAOYSA-N
MW468.51 g/mol
LogP4.13
Rot. Bonds7

About N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide

N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide (PubChem CID 166296878) has the molecular formula C24H26F2N6O2 and a molecular weight of 468.51 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide
PubChem CID166296878
Molecular FormulaC24H26F2N6O2
Molecular Weight468.51 g/mol
Exact Mass468.21
IUPAC NameN-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide
SMILESCc1ccc(Nc2cccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3OC(F)F)c2)nn1
InChIInChI=1S/C24H26F2N6O2/c1-16-6-9-22(30-29-16)27-18-5-3-4-17(14-18)23(33)28-20-8-7-19(15-21(20)34-24(25)26)32-12-10-31(2)11-13-32/h3-9,14-15,24H,10-13H2,1-2H3,(H,27,30)(H,28,33)
InChIKeyLBSNXEWLYOPNCY-UHFFFAOYSA-N
XLogP4.13
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

{4-[6-(2-Methoxy-phenyl)-pyridazin-3-ylamino]-phenyl}-morpholin-4-yl-methanone
CID 6411210
3-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422448
4-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422449
N-propyl-6-[5-[[3-(trifluoromethyl)phenyl]methyl]spiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl]pyridazine-3-carboxamide
CID 50924609
2-ethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422477
N-(2-methoxy-5-methylphenyl)-6-morpholinopyridazine-3-carboxamide
CID 71778578
N-(3-(difluoromethoxy)phenyl)-6-(piperidin-1-yl)pyridazine-3-carboxamide
CID 71778564
1-(2,5-Dimethoxyphenyl)-3-(3-(6-(piperidin-1-yl)pyridazin-3-yl)phenyl)urea
CID 43991823
1-(3-Methoxyphenyl)-3-(3-(6-morpholinopyridazin-3-yl)phenyl)urea
CID 43991956
N,N-diethyl-3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]benzamide
CID 6411211
3-methoxy-N-(3-(6-(4-methylpiperazin-1-yl)pyridazin-3-yl)phenyl)benzamide
CID 7422397
N-(3-acetylphenyl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30866725

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide?
The IUPAC name of N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide (CID 166296878) is N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide?
The canonical SMILES for N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide is Cc1ccc(Nc2cccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3OC(F)F)c2)nn1.
What is the InChIKey of N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide?
The InChIKey is LBSNXEWLYOPNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N6O2/c1-16-6-9-22(30-29-16)27-18-5-3-4-17(14-18)23(33)28-20-8-7-19(15-21(20)34-24(25)26)32-12-10-31(2)11-13-32/h3-9,14-15,24H,10-13H2,1-2H3,(H,27,30)(H,28,33).
What are the key properties of N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide?
N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide has a molecular weight of 468.51 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)phenyl]-3-[(6-methylpyridazin-3-yl)amino]benzamide is sourced from PubChem (CID 166296878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).